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BDBM50391187 CHEMBL2088665

SMILES: COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1

InChI Key: InChIKey=XAXTZRLEMGBGGK-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50391187   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50391187
PNG
(CHEMBL2088665)
Show SMILES COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A expressed in Escherichia coli using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50391187
PNG
(CHEMBL2088665)
Show SMILES COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110gamma by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
p110α/p85α


(Homo sapiens (Human))
BDBM50391187
PNG
(CHEMBL2088665)
Show SMILES COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of PI3K p110alpha/p85alpha by fluorescence based immunoassay


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50391187
PNG
(CHEMBL2088665)
Show SMILES COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
Show InChI InChI=1S/C19H16BrN3O2/c1-11-17-15-9-13(20)6-7-16(15)23(18(17)19(24)22-21-11)10-12-4-3-5-14(8-12)25-2/h3-9H,10H2,1-2H3,(H,22,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/P25 using myelin basic protein substrate


Eur J Med Chem 57: 225-33 (2012)


Article DOI: 10.1016/j.ejmech.2012.09.001
BindingDB Entry DOI: 10.7270/Q2RF5W4C
More data for this
Ligand-Target Pair